3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine

C17H21ClN2 — CID 43541407

IUPAC3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
SMILESCCN(c1nc2ccccc2cc1CCl)C1CCCC1
InChIInChI=1S/C17H21ClN2/c1-2-20(15-8-4-5-9-15)17-14(12-18)11-13-7-3-6-10-16(13)19-17/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3
InChIKeyQWGNGSBVACUTGI-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.74
Rot. Bonds4

About 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine

3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine (PubChem CID 43541407) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
PubChem CID43541407
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine
SMILESCCN(c1nc2ccccc2cc1CCl)C1CCCC1
InChIInChI=1S/C17H21ClN2/c1-2-20(15-8-4-5-9-15)17-14(12-18)11-13-7-3-6-10-16(13)19-17/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3
InChIKeyQWGNGSBVACUTGI-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine?
The IUPAC name of 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine (CID 43541407) is 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine?
The canonical SMILES for 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine is CCN(c1nc2ccccc2cc1CCl)C1CCCC1.
What is the InChIKey of 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine?
The InChIKey is QWGNGSBVACUTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-20(15-8-4-5-9-15)17-14(12-18)11-13-7-3-6-10-16(13)19-17/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3.
What are the key properties of 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine?
3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine has a molecular weight of 288.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-cyclopentyl-N-ethylquinolin-2-amine is sourced from PubChem (CID 43541407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).